Vitas-M small molecule compound
2-(2-methyl-5-nitrophenyl)-8-(propan-2-ylidene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK258086
SMILES CC(=C1C2C=CC1C1C2C(=O)N(C1=O)c1cc(ccc1C)[N+](=O)[O-])C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H18N2O4 MW 338.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O4/c1-9(2)15-12-6-7-13(15)17-16(12)18(22)20(19(17)23)14-8-11(21(24)25)5-4-10(14)3/h4-8,12-13,16-17H,1-3H3InChIKey
FZJARSVLZHXIAQ-UHFFFAOYSA-NSynonyms
2(2methyl5nitrophenyl)8(propan2ylidene)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC(=C1C2C=CC1C1C2C(=O)N(C1=O)c1cc(ccc1C)(N+)(=O)(O))C
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC(C3C2=O)C4=C(C)C
InChI=1SC19H18N2O4c19(2)15126713(15)1716(12)18(22)20(19(17)23)14811(21(24)25)5410(14)3h4812131617H13H3
MFCD01031791
ZINC000100059708
ZINC000101127774
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